N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide

C22H24N4OS — CID 46042185

IUPACN-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C22H24N4OS/c27-22(15-20-7-4-14-28-20)24-19-8-9-21(23-16-19)26-12-10-25(11-13-26)17-18-5-2-1-3-6-18/h1-9,14,16H,10-13,15,17H2,(H,24,27)
InChIKeyMWBNNDBRLKWVIZ-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.65
Rot. Bonds6

About N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide

N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 46042185) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID46042185
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C22H24N4OS/c27-22(15-20-7-4-14-28-20)24-19-8-9-21(23-16-19)26-12-10-25(11-13-26)17-18-5-2-1-3-6-18/h1-9,14,16H,10-13,15,17H2,(H,24,27)
InChIKeyMWBNNDBRLKWVIZ-UHFFFAOYSA-N
XLogP3.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113011235
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 42857505
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 113013734
(E)-3-phenyl-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]prop-2-enamide
CID 42857400
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-phenoxyacetamide
CID 46054009
2-phenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 155597278
3,5-difluoro-N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 46053960
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46157200
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857358
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053831
N-[6-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 42857480

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide (CID 46042185) is N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)nc1.
What is the InChIKey of N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is MWBNNDBRLKWVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c27-22(15-20-7-4-14-28-20)24-19-8-9-21(23-16-19)26-12-10-25(11-13-26)17-18-5-2-1-3-6-18/h1-9,14,16H,10-13,15,17H2,(H,24,27).
What are the key properties of N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide?
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 392.53 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 46042185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).